For some perhaps relevant discussion please see Appendix B here:
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6096492/pdf/d-74-00531.pdf
Pavel
On Sat, Jul 16, 2022 at 6:17 AM Marcin Wojdyr wrote:
> On Thu, Jul 14, 2022 at 3:15 AM Pavel Afonine wrote:
>
> > Map values are calculated using
On Thu, Jul 14, 2022 at 3:15 AM Pavel Afonine wrote:
> Map values are calculated using tricubic interpolation. Optionally you can
> choose a less accurate eight-point interpolation (use interpolation keyword
> for this).
>
I've been wondering which one is better. Tri-cubic is more accurate
On 13/07/2022 19:18, Ravikumar wrote:
I would like to calculate One-dimension electron density profiles of
the different number of ions bound to an ion channel. Are there any
programs in CCP4/ Phenix which can do the same job as the MAPMAN
(UPPSALA electron density server) program to
will also read in maps and
manipulate. It understands crystal symmetry, if that is what you have. It also
has functions for interpolation.
HTH
Martyn
From: CCP4 bulletin board On Behalf Of Ravikumar
Sent: 13 July 2022 19:18
To: ccp4bb
Subject: [ccp4bb] Help with One dimensional electron
Hi Ravikumar,
next nightly build of Phenix (dev-4661 and up, likely becomes available
tomorrow) found in the usual place
https://phenix-online.org/download/nightly_builds.cgi?show_all=1
will contain the new command line program
called phenix.map_values_along_line.
The program inputs the map
Dear Pavel,
I guess you know that Billy made cctbx "available" on colab. So
installing cctbx and python is not needed any more.
https://github.com/phenix-project/Colabs/blob/main/Start_cctbx.ipynb
There are also some descriptions of some modifications to
the installation so that everything
Hi Ravikumar,
this can be easily done in CCTBX, but requires knowing CCTBX and Python
scripting. I can write a script-example for you, if interested, or feel
free to give it a try yourself and let me know if you need any help.
Pavel
On Wed, Jul 13, 2022 at 11:19 AM Ravikumar wrote:
>
> Dear
